CID 86583394

Epoxy-4s-h4hpp

Structural Information

Molecular Formula
C9H12O5
SMILES
C1C[C@H]([C@H]2[C@@H]([C@@H]1CC(=O)C(=O)O)O2)O
InChI
InChI=1S/C9H12O5/c10-5-2-1-4(7-8(5)14-7)3-6(11)9(12)13/h4-5,7-8,10H,1-3H2,(H,12,13)/t4-,5+,7+,8-/m0/s1
InChIKey
GDGJNVNXUIMBFT-LAHCRNKXSA-N
Compound name
3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

200.06847 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07575 141.8
[M+Na]+ 223.05769 151.9
[M+NH4]+ 218.10229 148.8
[M+K]+ 239.03163 150.9
[M-H]- 199.06119 148.7
[M+Na-2H]- 221.04314 144.9
[M]+ 200.06792 145.9
[M]- 200.06902 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.